N-[(3R)-1-benzylpiperidin-3-yl]-N-propyl-1,3-benzodioxole-5-carboxamide

C23H28N2O3 — CID 52511574

IUPACN-[(3R)-1-benzylpiperidin-3-yl]-N-propyl-1,3-benzodioxole-5-carboxamide
SMILESCCCN(C(=O)c1ccc2c(c1)OCO2)[C@@H]1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C23H28N2O3/c1-2-12-25(23(26)19-10-11-21-22(14-19)28-17-27-21)20-9-6-13-24(16-20)15-18-7-4-3-5-8-18/h3-5,7-8,10-11,14,20H,2,6,9,12-13,15-17H2,1H3/t20-/m1/s1
InChIKeyMLYXZDQYTGPOSY-HXUWFJFHSA-N
MW380.49 g/mol
LogP3.93
Rot. Bonds6

About N-[(3R)-1-benzylpiperidin-3-yl]-N-propyl-1,3-benzodioxole-5-carboxamide

N-[(3R)-1-benzylpiperidin-3-yl]-N-propyl-1,3-benzodioxole-5-carboxamide (PubChem CID 52511574) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is N-[(3R)-1-benzylpiperidin-3-yl]-N-propyl-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1-benzylpiperidin-3-yl]-N-propyl-1,3-benzodioxole-5-carboxamide
PubChem CID52511574
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC NameN-[(3R)-1-benzylpiperidin-3-yl]-N-propyl-1,3-benzodioxole-5-carboxamide
SMILESCCCN(C(=O)c1ccc2c(c1)OCO2)[C@@H]1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C23H28N2O3/c1-2-12-25(23(26)19-10-11-21-22(14-19)28-17-27-21)20-9-6-13-24(16-20)15-18-7-4-3-5-8-18/h3-5,7-8,10-11,14,20H,2,6,9,12-13,15-17H2,1H3/t20-/m1/s1
InChIKeyMLYXZDQYTGPOSY-HXUWFJFHSA-N
XLogP3.93
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3S)-1-benzylpiperidin-3-yl]-3-methyl-N-propyltriazole-4-carboxamide
CID 129432508
3-amino-N-(1-benzylpiperidin-3-yl)-N-propylpropanamide
CID 119857622
N-[(3R)-1-benzylpiperidin-3-yl]-N-propylthiadiazole-5-carboxamide
CID 95274228
2-(aminomethyl)-N-(1-benzylpiperidin-3-yl)-N-propyl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119857615
3-amino-N-(1-benzylpiperidin-3-yl)-N-propylcyclopentane-1-carboxamide
CID 119857600
N-(1-benzylpiperidin-3-yl)-1-(furan-3-carbonyl)-N-propylpiperidine-4-carboxamide
CID 51132454
N-(1-benzylpiperidin-4-yl)-N-[(3-phenoxyphenyl)methyl]-1,3-benzodioxole-5-carboxamide
CID 42703386
N-[(3R)-1-benzylpiperidin-3-yl]-N-propyl-2-(1,2,4-triazol-1-yl)acetamide
CID 95284465
2-amino-N-[(3S)-1-benzylpiperidin-3-yl]-N-ethylacetamide
CID 66565211
N-[1-[[(3S)-1-benzyl-3-hydroxyazepan-4-yl]amino]-4-methyl-1-oxopentan-2-yl]-1,3-benzodioxole-5-carboxamide
CID 54098482
N-(1,3-benzodioxol-5-ylmethyl)-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide
CID 92684898
1,3-benzodioxol-5-yl-(4-benzylpiperazin-1-yl)methanone
CID 803605

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-benzylpiperidin-3-yl]-N-propyl-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-[(3R)-1-benzylpiperidin-3-yl]-N-propyl-1,3-benzodioxole-5-carboxamide (CID 52511574) is N-[(3R)-1-benzylpiperidin-3-yl]-N-propyl-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-[(3R)-1-benzylpiperidin-3-yl]-N-propyl-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-[(3R)-1-benzylpiperidin-3-yl]-N-propyl-1,3-benzodioxole-5-carboxamide is CCCN(C(=O)c1ccc2c(c1)OCO2)[C@@H]1CCCN(Cc2ccccc2)C1.
What is the InChIKey of N-[(3R)-1-benzylpiperidin-3-yl]-N-propyl-1,3-benzodioxole-5-carboxamide?
The InChIKey is MLYXZDQYTGPOSY-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-2-12-25(23(26)19-10-11-21-22(14-19)28-17-27-21)20-9-6-13-24(16-20)15-18-7-4-3-5-8-18/h3-5,7-8,10-11,14,20H,2,6,9,12-13,15-17H2,1H3/t20-/m1/s1.
What are the key properties of N-[(3R)-1-benzylpiperidin-3-yl]-N-propyl-1,3-benzodioxole-5-carboxamide?
N-[(3R)-1-benzylpiperidin-3-yl]-N-propyl-1,3-benzodioxole-5-carboxamide has a molecular weight of 380.49 g/mol, XLogP of 3.93, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-benzylpiperidin-3-yl]-N-propyl-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 52511574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).